Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50399332'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50399332 (CHEMBL2180881 | US9364459, E) Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13| Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg University of Mainz Curated by ChEMBL					Assay Description Inhibition of GSK3beta				J Med Chem 55: 9531-40 (2012) Article DOI: 10.1021/jm301217c BindingDB Entry DOI: 10.7270/Q21C1Z0P
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50399332 (CHEMBL2180881 | US9364459, E) Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2cccnc12 |t:13| Show InChI InChI=1S/C20H17N3O5/c1-26-13-7-10(8-14(27-2)18(13)28-3)15-16(20(25)23-19(15)24)11-9-22-12-5-4-6-21-17(11)12/h4-9,22H,1-3H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz US Patent					Assay Description The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...				US Patent US9364459 (2016) BindingDB Entry DOI: 10.7270/Q2ZK5FK2
					More data for this Ligand-Target Pair